7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one

C13H17NO2 — CID 22400696

IUPAC7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCOc1cc2c(cc1C)CCN(C)C(=O)C2
InChIInChI=1S/C13H17NO2/c1-9-6-10-4-5-14(2)13(15)8-11(10)7-12(9)16-3/h6-7H,4-5,8H2,1-3H3
InChIKeyBCYVNTJVISKQHL-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.56
Rot. Bonds1

About 7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one

7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one (PubChem CID 22400696) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one.

Molecular Properties

Compound Name7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one
PubChem CID22400696
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCOc1cc2c(cc1C)CCN(C)C(=O)C2
InChIInChI=1S/C13H17NO2/c1-9-6-10-4-5-14(2)13(15)8-11(10)7-12(9)16-3/h6-7H,4-5,8H2,1-3H3
InChIKeyBCYVNTJVISKQHL-UHFFFAOYSA-N
XLogP1.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13029673
7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57012678
8-amino-7-methoxy-3-sulfanyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 143662042
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
3-(7-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid
CID 143275319
9-methoxy-10-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 91335996
3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one;dihydrochloride
CID 13316677
ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 166464794
7,8-dimethoxy-3-[3-[methyl-[1-(2-methylnaphthalen-1-yl)ethyl]amino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
CID 70385457
6,7-dimethoxy-2-methyl-1-methylidene-3,4-dihydroisoquinoline
CID 11063933
7-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10241621
6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 77230927

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one?
The IUPAC name of 7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one (CID 22400696) is 7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one.
What is the SMILES notation for 7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one?
The canonical SMILES for 7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one is COc1cc2c(cc1C)CCN(C)C(=O)C2.
What is the InChIKey of 7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one?
The InChIKey is BCYVNTJVISKQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-6-10-4-5-14(2)13(15)8-11(10)7-12(9)16-3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one?
7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one has a molecular weight of 219.28 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one is sourced from PubChem (CID 22400696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).